⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10877333 | 1.00 | — | — | |
| SCHEMBL1110804 | 0.79 | — | — | |
| SCHEMBL25209591 | 0.76 | — | — | |
| SCHEMBL373823 | 0.76 | — | — | |
| SCHEMBL11063171 | 0.76 | — | — | |
| SCHEMBL17082860 | 0.72 | — | — | |
| SCHEMBL22497205 | 0.72 | — | — | |
| SCHEMBL180102 | 0.72 | — | — | |
| SCHEMBL9630013 | 0.71 | — | — | |
| SCHEMBL9780434 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3749670-A1 | 5-ALKYLTHIO-7-[(4-ARYLBENZYL)AMINO]-1(2)H-PYRAZOLO[4,3-D]PYRIMIDINES FOR TREATMENT OF LYMPHOMA | Univerzita Palackeho v Olomouci (CZ) | 2020-12-16 | — | — | EP | disclosed |
| WO-2019149295-A1 | 5-ALKYLTHIO-7-[(4-ARYLBENZYL)AMINO]-1(2)H-PYRAZOLO[4,3-D]PYRIMIDINES FOR TREATMENT OF LYMPHOMA | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2019-08-08 | — | — | WO | disclosed |